Antisite defect unleashes catalytic potential in high-entropy intermetallics for oxygen reduction reaction

Tao Chen, Xinkai Zhang, Hangchao Wang, Chonglin Yuan, Yuxuan Zuo, Chuan Gao, Wukun Xiao, Yue Yu, Junfei Cai, Tie Luo, Yan Xiang and Dingguo Xia ()
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Tao Chen: Peking University
Xinkai Zhang: Beihang University
Hangchao Wang: Peking University
Chonglin Yuan: Peking University
Yuxuan Zuo: Peking University
Chuan Gao: Peking University
Wukun Xiao: Peking University
Yue Yu: Peking University
Junfei Cai: Peking University
Tie Luo: Peking University
Yan Xiang: Beihang University
Dingguo Xia: Peking University

Nature Communications, 2025, vol. 16, issue 1, 1-11

Abstract: Abstract Developing highly active, low-cost, and durable catalysts for efficient oxygen reduction reactions remain a challenge, hindering the commercial viability of proton exchange membrane fuel cells (PEMFCs). In this study, an ordered PtZnFeCoNiCr high-entropy intermetallic electrocatalyst with Pt antisite point defects (PD-PZFCNC-HEI) is synthesized. The electrocatalyst shows high mass activity of 4.12 A mgPt-1 toward the oxygen reduction reaction (ORR), which is 33 times that of the commercial Pt/C. PEMFC, assembled with PD-PZFCNC-HEI as the cathode (0.05 mgPt cm-2), exhibits a peak power density of 1.9 W cm-2 and a high mass activity of 3.0 A mgPt-1 at 0.9 V. Theoretical calculations combined with in situ X-ray absorption fine structure results reveal that defect engineering optimizes Pt’s electronic structure and activates non-noble metal site active centers, achieving exceptionally high ORR catalytic activity. This study provides guidance for the development of nanostructured ordered high-entropy intermetallic catalysts.

Date: 2025
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DOI: 10.1038/s41467-025-58679-5

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